Toward Advanced High-Performance Insensitive FOX-7-like Energetic Materials via Positional Isomerization.

For an energetic molecule with a definite elemental composition, the substituent type and position are the most important factors to influence its detonation performance and mechanical sensitivities. In this work, two pairs of FOX-7-like energetic isomers based on ( and ; and ) were synthesized and characterized. Through positional isomerization, advanced high-performance insensitive explosives were obtained. Compounds and with an amino group adjacent to the electron-withdrawing side of the ethene bridge show both higher thermal stability and lower mechanical sensitivities (: = 258 °C, impact sensitivity () = 25 J, and friction sensitivity () = 300 N; : = 264 °C, = 30 J, and = 320 N). In addition, shows ultrahigh detonation performance ( = 9224 m s and = 31.1 GPa). These promising physicochemical properties are comparable to those of HMX ( = 9193 m s, = 37.8 GPa, = 275 °C, = 7.4 J, and = 120 N), which suggests that may be a promising energetic material in future applications.